CAS Registry Number®
546-97-4
CAS Name
Columbin
Molecular Formula
C20H22O6
Molecular Mass
358.39
Compound Properties
-
Melting Point (1)
182 °C (decomp)
Source(s)
- (1) Feist, I. K.; Justus Liebigs Annalen der Chemie, (1935), 517, 119-33, CAplus
Other Names and Identifiers
InChI
InChI=1S/C20H22O6/c1-18-9-14(11-5-8-24-10-11)25-16(21)12(18)3-6-19(2)15(18)13-4-7-20(19,23)17(22)26-13/h4-5,7-8,10,12-15,23H,3,6,9H2,1-2H3/t12-,13+,14-,15-,18+,19+,20-/m0/s1
InChIKey
InChIKey=AALLCALQGXXWNA-QJNFORGASA-N
SMILES
C[C@]12[C@]([C@@]3(C)[C@@](CC1)(C(=O)O[C@@H](C3)C=4C=COC4)[H])([C@@]5(OC(=O)[C@@]2(O)C=C5)[H])[H]
Canonical SMILES
O=C1OC(C2=COC=C2)CC3(C)C1CCC4(C)C3C5OC(=O)C4(O)C=C5
Other Names for this Substance
- 1,4-Etheno-3H,7H-benzo[1,2-c:3,4-c′]dipyran-3,7-dione, 9-(3-furanyl)-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-4-hydroxy-4a,10a-dimethyl-, (1R,4R,4aR,6aR,9S,10aS,10bS)-
- 17,18-Dinor-8βH,9βH,10α-labda-2,13(16),14-triene-19,20-dioic acid, 15,16-epoxy-1β,4,12-trihydroxy-5,9-dimethyl-, 19,1:20,12-dilactone
- 1,4-Etheno-3H,7H-benzo[1,2-c:3,4-c′]dipyran-3,7-dione, 9-(3-furanyl)-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-4-hydroxy-4a,10a-dimethyl-, [1R-(1α,4β,4aα,6aβ,9β,10aβ,10bα)]-
- Columbin
- (1R,4R,4aR,6aR,9S,10aS,10bS)-9-(3-Furanyl)-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-4-hydroxy-4a,10a-dimethyl-1,4-etheno-3H,7H-benzo[1,2-c:3,4-c′]dipyran-3,7-dione
Deleted or Replaced CAS Registry Numbers
1391-04-4
